1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5-fluoro-3-iodopyridin-2-one

C10H9FIN3O2 — CID 136529848

IUPAC1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5-fluoro-3-iodopyridin-2-one
SMILESCCc1nc(Cn2cc(F)cc(I)c2=O)no1
InChIInChI=1S/C10H9FIN3O2/c1-2-9-13-8(14-17-9)5-15-4-6(11)3-7(12)10(15)16/h3-4H,2,5H2,1H3
InChIKeyTUABKDLQRBWEPJ-UHFFFAOYSA-N
MW349.10 g/mol
LogP1.59
Rot. Bonds3

About 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5-fluoro-3-iodopyridin-2-one

1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5-fluoro-3-iodopyridin-2-one (PubChem CID 136529848) has the molecular formula C10H9FIN3O2 and a molecular weight of 349.10 g/mol. Its IUPAC name is 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5-fluoro-3-iodopyridin-2-one.

Molecular Properties

Compound Name1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5-fluoro-3-iodopyridin-2-one
PubChem CID136529848
Molecular FormulaC10H9FIN3O2
Molecular Weight349.10 g/mol
Exact Mass348.97
IUPAC Name1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5-fluoro-3-iodopyridin-2-one
SMILESCCc1nc(Cn2cc(F)cc(I)c2=O)no1
InChIInChI=1S/C10H9FIN3O2/c1-2-9-13-8(14-17-9)5-15-4-6(11)3-7(12)10(15)16/h3-4H,2,5H2,1H3
InChIKeyTUABKDLQRBWEPJ-UHFFFAOYSA-N
XLogP1.59
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.10
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5-fluoro-3-iodopyridin-2-one?
The IUPAC name of 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5-fluoro-3-iodopyridin-2-one (CID 136529848) is 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5-fluoro-3-iodopyridin-2-one.
What is the SMILES notation for 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5-fluoro-3-iodopyridin-2-one?
The canonical SMILES for 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5-fluoro-3-iodopyridin-2-one is CCc1nc(Cn2cc(F)cc(I)c2=O)no1.
What is the InChIKey of 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5-fluoro-3-iodopyridin-2-one?
The InChIKey is TUABKDLQRBWEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FIN3O2/c1-2-9-13-8(14-17-9)5-15-4-6(11)3-7(12)10(15)16/h3-4H,2,5H2,1H3.
What are the key properties of 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5-fluoro-3-iodopyridin-2-one?
1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5-fluoro-3-iodopyridin-2-one has a molecular weight of 349.10 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5-fluoro-3-iodopyridin-2-one is sourced from PubChem (CID 136529848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).